3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene

C10H16O — CID 19956540

IUPAC3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene
SMILESCOC1=CC(C)CC(C)=C1C
InChIInChI=1S/C10H16O/c1-7-5-8(2)9(3)10(6-7)11-4/h6-7H,5H2,1-4H3
InChIKeyKSGJAXHFHOJCBJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.89
Rot. Bonds1

About 3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene

3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene (PubChem CID 19956540) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene
PubChem CID19956540
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene
SMILESCOC1=CC(C)CC(C)=C1C
InChIInChI=1S/C10H16O/c1-7-5-8(2)9(3)10(6-7)11-4/h6-7H,5H2,1-4H3
InChIKeyKSGJAXHFHOJCBJ-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene?
The IUPAC name of 3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene (CID 19956540) is 3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene.
What is the SMILES notation for 3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene?
The canonical SMILES for 3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene is COC1=CC(C)CC(C)=C1C.
What is the InChIKey of 3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene?
The InChIKey is KSGJAXHFHOJCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7-5-8(2)9(3)10(6-7)11-4/h6-7H,5H2,1-4H3.
What are the key properties of 3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene?
3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene is sourced from PubChem (CID 19956540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).